Incorporation of tunneling effects in classical trajectories via a method of canonical transformations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference15 articles.
1. Method for quasiclassical trajectory calculations on potential energy surfaces defined from gradients and Hessians, and model to constrain the energy in vibrational modes
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3. Integral cross sections for atomic hydrogen + hydrogen(0,0) .fwdarw. hydrogen(0,j') + hydrogen atom: comparison of quasiclassical and quantum results
4. A method to constrain vibrational energy in quasiclassical trajectory calculations
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1. Modelling tunnelling effects in multidimensional quasiclassical trajectories. Application to the O(3P)+H2 reaction;Chemical Physics Letters;2008-08
2. On canonical perturbation theory in classical mechanics;International Journal of Quantum Chemistry;2001-11-13
3. Four-atom bimolecular reactions with relevance in environmental chemistry: Theoretical work;International Reviews in Physical Chemistry;2000-04
4. Semiclassical theory of multidimensional tunneling and the hopping method;The Journal of Chemical Physics;1999-11-08
5. Classical canonical transformation theory as a tool to describe multidimensional tunnelling in reactive scattering. Hopping method revisited and collinear H+H2 exchange reaction near the classical threshold;Physical Chemistry Chemical Physics;1999
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